N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

C22H34N4O3 — CID 175645656

IUPACN-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCOCCN(C)C(=O)[C@@H]1CC[C@H](NC(=O)c2cccc3c2NCCC3)CN(C)C1
InChIInChI=1S/C22H34N4O3/c1-25-14-17(22(28)26(2)12-13-29-3)9-10-18(15-25)24-21(27)19-8-4-6-16-7-5-11-23-20(16)19/h4,6,8,17-18,23H,5,7,9-15H2,1-3H3,(H,24,27)/t17-,18+/m1/s1
InChIKeyNRLPNEQDPUDFIZ-MSOLQXFVSA-N
MW402.54 g/mol
LogP1.59
Rot. Bonds6

About N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 175645656) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID175645656
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCOCCN(C)C(=O)[C@@H]1CC[C@H](NC(=O)c2cccc3c2NCCC3)CN(C)C1
InChIInChI=1S/C22H34N4O3/c1-25-14-17(22(28)26(2)12-13-29-3)9-10-18(15-25)24-21(27)19-8-4-6-16-7-5-11-23-20(16)19/h4,6,8,17-18,23H,5,7,9-15H2,1-3H3,(H,24,27)/t17-,18+/m1/s1
InChIKeyNRLPNEQDPUDFIZ-MSOLQXFVSA-N
XLogP1.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide with MolForge

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Related Compounds

N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214552
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62212757
N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62215094
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 118788781
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 65041181
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 63025604
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 131893212
(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213479
N-(3-methoxypropyl)-2-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 43117550

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 175645656) is N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is COCCN(C)C(=O)[C@@H]1CC[C@H](NC(=O)c2cccc3c2NCCC3)CN(C)C1.
What is the InChIKey of N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is NRLPNEQDPUDFIZ-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-25-14-17(22(28)26(2)12-13-29-3)9-10-18(15-25)24-21(27)19-8-4-6-16-7-5-11-23-20(16)19/h4,6,8,17-18,23H,5,7,9-15H2,1-3H3,(H,24,27)/t17-,18+/m1/s1.
What are the key properties of N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 175645656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).